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Modeling aqueous electrolyte solutions: Part 1. Fully dissociated electrolytes
Authors:Christoph Held  Luca F Cameretti  Gabriele Sadowski  
Institution:aLaboratory of Thermodynamics, Faculty of Biochemical and Chemical Engineering, Dortmund University of Technology, Emil-Figge-Str. 70, 44227 Dortmund, Germany
Abstract:Liquid densities (pvT), vapor pressures (VLE), and mean ionic activity coefficients (MIAC) at 25 °C of 115 single-salt electrolyte solutions containing univalent up to trivalent ions are modeled with the ePC-SAFT equation of state proposed by Cameretti et al. L.F. Cameretti, G. Sadowski, J.M. Mollerup, Ind. Eng. Chem. Res. 44 (2005) 3355–3362; ibid., 8944]. For each ion, only two model parameters were adjusted to experimental density and MIAC data. Without using any additional binary parameters, ePC-SAFT is able to reproduce experimental data of the respective salt solutions up to high electrolyte molalities. Moreover, it is even able to describe the reversed MIAC series for alkali hydroxides and fluorides.
Keywords:Thermodynamic properties  Density  Vapor–  liquid equilibria  Mean ionic activity coefficient  Equation of state  PC-SAFT  Debye–    ckel  Aqueous solutions  Binary mixtures  Primitive model
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